methyl 2-ethyl-N,3-dimethylpentanimidate

C10H21NO — CID 89351660

IUPACmethyl 2-ethyl-N,3-dimethylpentanimidate
SMILESCCC(C)C(CC)/C(=N/C)OC
InChIInChI=1S/C10H21NO/c1-6-8(3)9(7-2)10(11-4)12-5/h8-9H,6-7H2,1-5H3/b11-10-
InChIKeyZMDHLXQEBBEUSA-KHPPLWFESA-N
MW171.28 g/mol
LogP2.73
Rot. Bonds4

About methyl 2-ethyl-N,3-dimethylpentanimidate

methyl 2-ethyl-N,3-dimethylpentanimidate (PubChem CID 89351660) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is methyl 2-ethyl-N,3-dimethylpentanimidate.

Molecular Properties

Compound Namemethyl 2-ethyl-N,3-dimethylpentanimidate
PubChem CID89351660
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namemethyl 2-ethyl-N,3-dimethylpentanimidate
SMILESCCC(C)C(CC)/C(=N/C)OC
InChIInChI=1S/C10H21NO/c1-6-8(3)9(7-2)10(11-4)12-5/h8-9H,6-7H2,1-5H3/b11-10-
InChIKeyZMDHLXQEBBEUSA-KHPPLWFESA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-N,3-dimethylpentanimidate?
The IUPAC name of methyl 2-ethyl-N,3-dimethylpentanimidate (CID 89351660) is methyl 2-ethyl-N,3-dimethylpentanimidate.
What is the SMILES notation for methyl 2-ethyl-N,3-dimethylpentanimidate?
The canonical SMILES for methyl 2-ethyl-N,3-dimethylpentanimidate is CCC(C)C(CC)/C(=N/C)OC.
What is the InChIKey of methyl 2-ethyl-N,3-dimethylpentanimidate?
The InChIKey is ZMDHLXQEBBEUSA-KHPPLWFESA-N. The full InChI is InChI=1S/C10H21NO/c1-6-8(3)9(7-2)10(11-4)12-5/h8-9H,6-7H2,1-5H3/b11-10-.
What are the key properties of methyl 2-ethyl-N,3-dimethylpentanimidate?
methyl 2-ethyl-N,3-dimethylpentanimidate has a molecular weight of 171.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-N,3-dimethylpentanimidate is sourced from PubChem (CID 89351660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).